1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane

• ChemBase ID: 11981
• Molecular Formular: C4H2Cl2F6O
• Molecular Mass: 250.9544992
• Monoisotopic Mass: 249.93868936
• SMILES: O(C(F)(C(C(F)(F)F)F)F)C(Cl)Cl
• Canonical SMILES: FC(C(OC(Cl)Cl)(F)F)C(F)(F)F
• InChI: InChI=1S/C4H2Cl2F6O/c5-2(6)13-4(11,12)1(7)3(8,9)10/h1-2H
• InChIKey: GZJFDMGJHHVNAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane
• IUPAC Traditional name: 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane
• Synonyms: 1,1,2,3,3,3-Hexafluoropropyl dichloromethyl ether

Database IDs

• CAS Number: 56860-82-3
• MDL Number: MFCD03094547
• PubChem SID: 160975288
• PubChem CID: 2778843

CALCULATED PROPERTIES

• Acid pKa: 14.971887
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5286727
• LogD (pH = 7.4): 3.5286727
• Log P: 3.5286727
• Molar Refractivity: 32.9766 cm^3
• Polarizability: 12.687383 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%